Chem
J-GLOBAL ID:201007011207512764
Nikkaji number:J2.810.627K
27-Nor-5β-cholestane-3α,7α,12α,26-tetraol
27-ノル-5β-コレスタン-3α,7α,12α,26-テトラオール
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Substance type:
Substance type
Substance type classified into 3 categories. Decided structure: Substances with a clear structure Undicided Structure: Substances with unknown or undetermined structure Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula:
C26 H46 O4
Molecular formula furigana:
C26-H46-O4
Molecular weight:
422.650
InChI:
InChI=1S/C26H46O4/c1-16(7-5-4-6-12-27)19-8-9-20-24-21(15-23(30)26(19,20)3)25(2)11-10-18(28)13-17(25)14-22(24)29/h16-24,27-30H,4-15H2,1-3H3/t16-,17+,18-,19-,20+,21+,22-,23+,24+,25+,26-/m1/s1
InChI key:
BLPNMBHSWMNUFQ-JGSYMWHOSA-N
SMILES:
C[C@H](CCCCCO)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C
Systematic name (3):
27-ノル-5β-コレスタン-3α,7α,12α,26-テトラオール
(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-1-[(2R)-7-ヒドロキシヘプタン-2-イル]-9a,11a-ジメチル-ヘキサデカヒドロ-1H-シクロペンタ[a]フェナントレン-4,7,11-トリオール
(1R,3aS,3bR,4R,5aS,7R,9aS,9bS,11S,11aR)-1-[(2R)-7-hydroxyheptan-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-4,7,11-triol
Other name (1):
27-Nor-5β-cholestane-3α,7α,12α,26-tetraol
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